compound 1 [PMID: 1895299]

Ligand id: 2975

Name: compound 1 [PMID: 1895299]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 106.89
Molecular weight 421.26
XLogP 3.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Robl JA, Duncan LA, Pluscec J, Karanewsky DS, Gordon EM, Ciosek CP, Rich LC, Dehmel VC, Slusarchyk DA, Harrity TW. (1991)
Phosphorus-containing inhibitors of HMG-CoA reductase. 2. Synthesis and biological activities of a series of substituted pyridines containing a hydroxyphosphinyl moiety.
J. Med. Chem., 34 (9): 2804-15. [PMID:1895299]